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EC number: 946-937-7 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 11 July 2009 to 30 September 2009
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- other: Guidelines for testing of chemicals" No.107,State Environmental Protection Administration(SEPA), China
- Deviations:
- no
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- OECD Guideline 107 (Partition Coefficient (n-octanol / water), Shake Flask Method)
- GLP compliance:
- yes
- Type of method:
- flask method
- Partition coefficient type:
- octanol-water
- Analytical method:
- high-performance liquid chromatography
- Type:
- log Pow
- Partition coefficient:
- 8.1
- Remarks on result:
- other: Prediction using software
- Details on results:
- The test chooses saturated n-octanol and aqueous as the separated phases through the shake flask method and the content of test material in different phases is determined by LC/MS. The test material (25°C) in its aqueous solution was not detected and the LOD of analysis method is 2.4x 10^-8 g/L, so the test material is almost insoluble in water, Pow (Partition coefficient (n-octanol/water)) and logPow can not be calculated.
Therefore Kow was estimated using specialist chemical prediction software (EPI-Suite v.4.0, 2000 US Environmental Protection Agency). The predicted LogKow (KOWWIN vl.67 estimate) = 8.10. - Conclusions:
- Under the conditions of this study the Pow could not be determined. Iit was therefore estimated using specialist chemical prediction software and the predicted LogKow (KOWWIN v1.67 estimate) was 8.10.
- Executive summary:
The partition coefficient of the test material was investigated in accordance with the standardised guideline "Guidelines for testing of chemicals", State Environmental Protection Administration (SEPA) of China, No. 107 with reference to OECD 107 and under GLP conditions, using the shale flask method with HPLC analysis. The test chooses saturated n-octanol and aqueous as the separated phases through the shake flask method and determines the content of test material in different phases by LC/MS. The test material (25°C) in its aqueous solution was not detected and the LOD of analysis method is 2.4 x 10-8 g/L, so the test material is almost insoluble in water. The Pow (Partition coefficient (n-octanol/water)) and logPow can not be calculated. Under the conditions of this study the Pow could not be determined, it was therefore estimated using specialist chemical prediction software and the predicted LogKow (KOWWIN v1.67 estimate) was 8.10.
Reference
Description of key information
Under the conditions of this study the Pow could not be determined. It was therefore estimated using specialist chemical prediction software and the predicted LogKow (KOWWIN v1.67 estimate) was 8.10.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 8.1
Additional information
The partition coefficient of the test material was investigated in accordance with the standardised guideline "Guidelines for testing of chemicals", State Environmental Protection Administration (SEPA) of China, No. 107 with reference to OECD 107 and under GLP conditions, using the shale flask method with HPLC analysis. The test chooses saturated n-octanol and aqueous as the separated phases through the shake flask method and determines the content of test material in different phases by LC/MS. The test material (25°C) in its aqueous solution was not detected and the LOD of analysis method is 2.4 x 10-8g/L, so the test material is almost insoluble in water. The Pow (Partition coefficient (n-octanol/water)) and logPow can not be calculated. Under the conditions of this study the Pow could not be determined, it was therefore estimated using specialist chemical prediction software and the predicted LogKow (KOWWIN v1.67 estimate) was 8.10.
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